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	hartrees
Energy at 0K	-7795.246474
Energy at 298.15K	-7795.258360
HF Energy	-7794.581406
Nuclear repulsion energy	976.838893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2937	2.39
2	A₁	1452	1380	11.41
3	A₁	1091	1037	4.84
4	A₁	425	404	4.25
5	A₁	224	213	0.02
6	A₂	357	339	0.00
7	E	3195	3036	2.17
7	E	3195	3036	2.17
8	E	1513	1438	4.50
8	E	1513	1438	4.50
9	E	1126	1070	48.44
9	E	1126	1070	48.44
10	E	666	633	71.33
10	E	666	633	71.33
11	E	290	276	1.35
11	E	290	276	1.35
12	E	156	148	0.01
12	E	156	148	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.444
C2	0.000	0.000	1.961
Br3	0.000	1.845	-0.204
Br4	1.597	-0.922	-0.204
Br5	-1.597	-0.922	-0.204
H6	0.000	-1.029	2.325
H7	0.891	0.514	2.325
H8	-0.891	0.514	2.325

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5175	1.9549	1.9549	1.9549	2.1445	2.1445	2.1445
C2	1.5175		2.8443	2.8443	2.8443	1.0914	1.0914	1.0914
Br3	1.9549	2.8443		3.1949	3.1949	3.8280	2.9932	2.9932
Br4	1.9549	2.8443	3.1949		3.1949	2.9932	2.9932	3.8280
Br5	1.9549	2.8443	3.1949	3.1949		2.9932	3.8280	2.9932
H6	2.1445	1.0914	3.8280	2.9932	2.9932		1.7822	1.7822
H7	2.1445	1.0914	2.9932	2.9932	3.8280	1.7822		1.7822
H8	2.1445	1.0914	2.9932	3.8280	2.9932	1.7822	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.478	C1	C2	H7	109.478
C1	C2	H8	109.478	C2	C1	Br3	109.346
C2	C1	Br4	109.346	C2	C1	Br5	109.346
Br3	C1	Br4	109.597	Br3	C1	Br5	109.597
Br4	C1	Br5	109.597	H6	C2	H7	109.465
H6	C2	H8	109.465	H7	C2	H8	109.465

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)

using model chemistry: MP2/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CBr3 (1,1,1-tribromoethane)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)